Structure of PDB 4yo7 Chain A Binding Site BS02

Receptor Information
>4yo7 Chain A (length=287) Species: 272558 (Halalkalibacterium halodurans C-125) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TGDSGQKVIGVSISNLDEFLTYMQDAMKEEAANYPDFEFIFSDAQNDSTQ
QMAQVENFISRNVDAIIVNPVDTTSAVDIVNMVNDAGIPIIIANRTFDGV
DQATAFVGSESIQSGLLQMEEVAKLLNNEGNIAIMDGELGHEAQIMRTEG
NKQIIEEHDGLEVVLQGTAKFDRSEGMRLMENWLNSGTEIDAVVANNDEM
ALGAILALEAVGKLDDVIVAGIDATPAALEAMKEGKLDVTVFQDAKGQGA
TSVKVAVQAANGEDVEDAMIPYELVTPENVEEYEAKY
Ligand information
Ligand IDINS
InChIInChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-
InChIKeyCDAISMWEOUEBRE-GPIVLXJGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1(C(C(C(C(C1O)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(O)C(O)C(O)C1O
CACTVS 3.341O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
FormulaC6 H12 O6
Name1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE;
MYO-INOSITOL
ChEMBLCHEMBL1222251
DrugBankDB13178
ZINCZINC000100018867
PDB chain4yo7 Chain A Residue 405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4yo7 Crystal Structure of an ABC transporter solute binding protein (IPR025997) from Bacillus halodurans C-125 (BH2323, TARGET EFI-511484) with bound myo-inositol
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D53 N130 R131 R183 N233 D259 Q279
Binding residue
(residue number reindexed from 1)		D17 N94 R95 R147 N197 D223 Q243
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4yo7, PDBe:4yo7, PDBj:4yo7
PDBsum4yo7
PubMed
UniProtQ9KAG4

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